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An expansion for four-center integrals over Slater-type orbitals

✍ Scribed by Lydia S. Salmons; Klaus Ruedenberg

Publisher
John Wiley and Sons
Year
1972
Tongue
English
Weight
450 KB
Volume
6
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

Computer-generated formulas for two-cent
Computer-generated formulas for two-center coulomb integrals over slater‒ type orbitals
✍ Herbert W. Jones 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 326 KB

## Abstract Formulas can be automatically generated for all two‐center Coulomb integrals over Slater‐type orbitals by means of the “__C__‐matrix” single‐center expansion method with use of “computer algebra.” The formula coefficients may be stored in two‐dimensional arrays.

Approximation of three-center nuclear at
Approximation of three-center nuclear attraction integrals over slater-type orbitals
✍ J. Reinhold; H. Zwanziger; Ch. Meyer 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 385 KB

A simple method for the rppro.ximation of three-center nuclear attraction integrals is given. In (x,ll/r,lx$ the point charge is expanded aroung the center 6. For the terms of the expansion in the potential a suitable appro.xbnation is used such that the integral is reduced to overlap-type integrals

Computer-generated formulas for some thr
Computer-generated formulas for some three-center molecular integrals over Slater-type orbitals
✍ Herbert W. Jones 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 187 KB

## Abstract Exact computer‐generated formulas can be produced for each term of an infinite series that gives the value of three‐center Coulomb integrals over Slater‐type orbitals of the __s__‐type with equal screening constants. As a specific example, the Coulomb energy of an equilateral triangular

Slater-orbital molecular integrals by nu
Slater-orbital molecular integrals by numerical Fourier-transform methods. II. Four-center integrals over is orbitals
✍ Ante Graovac; Krešimir Kovačević; Zvonimir B. Maksi; Ahmet Veseli 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 544 KB

## Abstract The four‐center nonplanar electron repulsion integrals over 1__s__ Slater‐type atomic orbitals are considered by a numerical Fourier‐transform method. It is shown that the highly oscillating integrand appearing in the Fourier inversion formula could be successfully treated by using Tche